3949-0281 Screening compound: methyl 4-{5-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]furan-2-yl}benzoate

3949-0281 Screening compound: methyl 4-{5-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]furan-2-yl}benzoate
3949-0281 Screening compound: methyl 4-{5-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3949-0281
methyl 4-{5-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]furan-2-yl}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3949-0281

Molecular Formula

C26H31N7O3 (C26 H31 N7 O3)

Compound Name

methyl 4-{5-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]furan-2-yl}benzoate

IUPAC name

methyl 4-{5-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]furan-2-yl}benzoate

SMILES

COC(c(cc1)ccc1-c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1)=O

InChI

InChI=1S/C26H31N7O3/c1-35-23(34)20-10-8-19(9-11-20)22-13-12-21(36-22)18-27-31-24-28-25(32-14-4-2-5-15-32)30-26(29-24)33-16-6-3-7-17-33/h8-13,18H,2-7,14-17H2,1H3,(H,28,29,30,31)

InChI Key

ZDIDOEHPICXJDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05975907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.366

Distribution Coefficient, logD

7.353

Water Solubility, LogSw

-5.69

Polar Surface Area

85.878

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 3949-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-0281?
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What is the minimum amount of 3949-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-0281
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3949-0281 available by request